Information card for entry 4068795

Structure parameters

• Common name: in paper 3b
• Formula: C16 H30 B F6 N4 P
• Calculated formula: C16 H30 B F6 N4 P
• Title of publication: New Structural Motifs of Lithium N-Heterocyclic Carbene Complexes with Bis(3-tert-butylimidazol-2-ylidene)dialkylborate Ligands†
• Authors of publication: Shishkov, Igor V.; Rominger, Frank; Hofmann, Peter
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 3532
• a: 10.3668 ± 0.0003 Å
• b: 11.3723 ± 0.0003 Å
• c: 37.0062 ± 0.0009 Å
• α: 90°
• β: 96.36 ± 0.001°
• γ: 90°
• Cell volume: 4336 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No